Analyte Name

3-((9-(((E)-4-((2S,3R,4R,5S)-3,4-Dihydroxy-5-(((2S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoyl)oxy)-2-hydroxypropyl Stearate

Molecular Formula

C47 H84 O12

Molecular Weight

841.163

Accurate Mass

840.596

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCOC(=O)\C=C(/C)\C[C@@H]1OC[C@H](C[C@@H]2OC2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C47H84O12/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-42(50)57-33-39(49)34-58-43(51)27-24-21-18-19-22-25-28-55-44(52)30-35(2)29-40-46(54)45(53)38(32-56-40)31-41-47(59-41)36(3)37(4)48/h30,36-41,45-49,53-54H,5-29,31-34H2,1-4H3/b35-30+/t36-,37-,38-,39?,40-,41-,45+,46-,47?/m0/s1

IUPAC

[3-[9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoyloxy]-2-hydroxypropyl] octadecanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat